SCHEMBL30406408

SCHEMBL30406408

CC[C@H](C)Nc1ncc2c(-c3cc4cnccc4s3)c[nH]c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 3/20 0.38
▸ AKT1 P31749 2/20 0.37
▸ DYRK1A Q13627 2/20 0.36
▸ CLK1 P49759 1/20 0.36
▸ PLK4 O00444 1/20 0.35
▸ CHUK O15111 1/20 0.35
▸ MAPK13 O15264 1/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ DAPK3 O43293 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ PRKCG P05129 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ PRKACA P17612 1/20 0.35
▸ RPS6KB1 P23443 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ MARK3 P27448 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ AKT2 P31751 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25158447 1.00 CYP2A6 (0.38) CYP2A6AKT1DYRK1ACLK1PLK4
SCHEMBL25206961 1.00 CYP2A6 (0.38) CYP2A6AKT1DYRK1ACLK1PLK4
SCHEMBL25158444 0.90 CYP2A6 (0.38) CYP2A6AKT1DYRK1ACLK1PLK4
SCHEMBL30348957 0.90 CYP2A6 (0.38) CYP2A6AKT1DYRK1ACLK1PLK4
SCHEMBL25156896 0.89 CDK2 (0.42) CYP2A6AKT1DYRK1ACLK1PLK4
SCHEMBL25224064 0.89 CDK2 (0.42) CYP2A6AKT1DYRK1ACLK1PLK4
SCHEMBL30348320 0.89 CDK2 (0.42) CYP2A6AKT1DYRK1ACLK1PLK4
SCHEMBL25158572 0.87 DYRK1A (0.35) CYP2A6AKT1DYRK1ACLK1PLK4
SCHEMBL25211409 0.87 DYRK1A (0.35) CYP2A6AKT1DYRK1ACLK1PLK4
SCHEMBL25211411 0.87 DYRK1A (0.35) CYP2A6AKT1DYRK1ACLK1PLK4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167133-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AND USES THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2023-06-01 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230167133-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AND USES THEREOF DYRK1A, DYRK1B, DYRK2 CYP2A6 2959/4885AKT1 1928/4885DYRK1A 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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